Optimal simultaneous superpositioning of multiple structures with missing data.

ABSTRACT:

Motivation

Superpositioning is an essential technique in structural biology that facilitates the comparison and analysis of conformational differences among topologically similar structures. Performing a superposition requires a one-to-one correspondence, or alignment, of the point sets in the different structures. However, in practice, some points are usually 'missing' from several structures, for example, when the alignment contains gaps. Current superposition methods deal with missing data simply by superpositioning a subset of points that are shared among all the structures. This practice is inefficient, as it ignores important data, and it fails to satisfy the common least-squares criterion. In the extreme, disregarding missing positions prohibits the calculation of a superpos

SUBMITTER: Theobald DL 

PROVIDER: S-EPMC3400950 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature